4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C18H22N2O3S — CID 669716

IUPAC4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyMLMBOLOCASDIAK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.56
Rot. Bonds4

About 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide

4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 669716) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID669716
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyMLMBOLOCASDIAK-UHFFFAOYSA-N
XLogP2.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 669716) is 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is MLMBOLOCASDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 669716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).